6SOU
Fragment N13565a in complex with MAP kinase p38-alpha
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.92 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.682, 86.950, 127.035 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 71.750 - 1.500 |
R-factor | 0.2161 |
Rwork | 0.215 |
R-free | 0.23330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6so1 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.779 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.750 | 1.540 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 81032 | 5937 |
<I/σ(I)> | 12.2 | 1.2 |
Completeness [%] | 99.1 | 99.3 |
Redundancy | 6.3 | 5.3 |
CC(1/2) | 0.999 | 0.534 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium sulphate, 0.1M bis-tris propane, 10% glycerol |